[gmx-users] Gromacs: GPU detection

[Jernej Zidar]

Hi there.
  Lately I've been running simulations using GPUs on a computer node.
I noticed that though the GPUs are always in use sometimes I don't get
this message in the output:
Using 4 MPI threads
Using 2 OpenMP threads per tMPI thread

4 GPUs detected:
  #0: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
  #1: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
  #2: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
  #3: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible

4 GPUs auto-selected for this run: #0, #1, #2, #3

- - - -

  Is this a small bug in mdrun? The GPUs are clearly in use even when
the message is not displayed. I can see that from the overall
performance.

  I'm using Gromacs 4.6.3 with version 5.0 of the CUDA libraries.

Thanks,
Jernej